⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28963232 | 0.92 | — | — | |
| SCHEMBL127447 | 0.69 | — | — | |
| Water SCHEMBL29065746 | 0.67 | — | — | |
| SCHEMBL887928 | 0.67 | — | — | |
| SCHEMBL11483429 | 0.66 | — | — | |
| SCHEMBL24780845 | 0.65 | — | — | |
| SCHEMBL13317636 | 0.65 | — | — | |
| SCHEMBL1534066 | 0.65 | — | — | |
| SCHEMBL9739768 | 0.65 | — | — | |
| SCHEMBL9658533 | 0.65 | GLS (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694830-A1 | PRODUCTION OF 1,5-PENTANEDIOL VIA UPGRADING OF TETRAHYDROFURFURYL ALCOHOL | Wisconsin Alumni Research Foundation (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074562-A1 | PRODUCTION OF 1,5-PENTANEDIOL VIA UPGRADING OF TETRAHYDROFURFURYL ALCOHOL | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2019-04-18 | — | — | WO | disclosed |